AB56097
24435-45-8 | (S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56097
ChemicalName
(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber
24435-45-8
MolecularFormula
C4H5F3O3
MolecularWeight
158.0759096
MdlNumber
MFCD07375449
Smiles
OC(=O)[C@@](C(F)(F)F)(O)C
Complexity
152
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB56097
ChemicalName: (S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber: 24435-45-8
MolecularFormula: C4H5F3O3
MolecularWeight: 158.0759096
MdlNumber: MFCD07375449
Smiles: OC(=O)[C@@](C(F)(F)F)(O)C
Complexity: 152
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB56097
ChemicalName:
(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
CasNumber:
24435-45-8
MolecularFormula:
C4H5F3O3
MolecularWeight:
158.0759096
MdlNumber:
MFCD07375449
Smiles:
OC(=O)[C@@](C(F)(F)F)(O)C
Complexity:
152
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(cc2c(c1c1c(O)c(cc3c1cccc3)c1c(cc(cc1C(C)C)C(C)C)C(C)C)cccc2)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1c(cc2c(c1c1c(O)c(cc3c1cccc3)c1c(cc(cc1C(C)C)C(C)C)C(C)C)cccc2)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(c2ccccc2cc1c1c2ccccc2cc2c1cccc2)c1c(O)c(cc2c1cccc2)c1c2ccccc2cc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(c2ccccc2cc1c1c2ccccc2cc2c1cccc2)c1c(O)c(cc2c1cccc2)c1c2ccccc2cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__